element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
ThreeBodyCluster_KP_KaxirasPandey_1988_Si__MO_072486242437_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.10135586 0.10135586 0.10135586]]
spacegroup =  206
cell =  [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:41:39      -64.713986        1.5873
BFGS:    1 17:41:39      -65.104254        1.5131
BFGS:    2 17:41:39      -65.731454        1.3646
BFGS:    3 17:41:39      -66.060645        1.2315
BFGS:    4 17:41:39      -66.204133        1.0995
BFGS:    5 17:41:39      -66.258392        0.9460
BFGS:    6 17:41:39      -66.366590        0.8015
BFGS:    7 17:41:39      -66.475744        0.6554
BFGS:    8 17:41:39      -66.576117        0.5100
BFGS:    9 17:41:39      -66.659280        0.3669
BFGS:   10 17:41:39      -66.719815        0.2270
BFGS:   11 17:41:39      -66.754590        0.1004
BFGS:   12 17:41:39      -66.762407        0.0128
BFGS:   13 17:41:39      -66.762459        0.0050
BFGS:   14 17:41:39      -66.762473        0.0009
BFGS:   15 17:41:39      -66.762474        0.0001
BFGS:   16 17:41:39      -66.762474        0.0000
BFGS:   17 17:41:39      -66.762474        0.0000
BFGS:   18 17:41:39      -66.762474        0.0000
Minimization converged after 18 steps.
Maximum force component: 6.293616245018655e-10 eV/Angstrom
Maximum stress component: 1.7896452590059893e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.09383169 0.09383169 0.09383169]
 [0.40616831 0.90616831 0.59383169]
 [0.90616831 0.59383169 0.40616831]
 [0.59383169 0.40616831 0.90616831]
 [0.59383169 0.59383169 0.59383169]
 [0.90616831 0.40616831 0.09383169]
 [0.40616831 0.09383169 0.90616831]
 [0.09383169 0.90616831 0.40616831]
 [0.90616831 0.90616831 0.90616831]
 [0.59383169 0.09383169 0.40616831]
 [0.09383169 0.40616831 0.59383169]
 [0.40616831 0.59383169 0.09383169]
 [0.40616831 0.40616831 0.40616831]
 [0.09383169 0.59383169 0.90616831]
 [0.59383169 0.90616831 0.09383169]
 [0.90616831 0.09383169 0.59383169]]
cellpar =  Cell([[6.888360588520462, 8.106048891771936e-38, 0.0], [-1.0772031833608074e-36, 6.888360588520462, 0.0], [0.0, 0.0, 6.888360588520462]])
forces =  [[-6.29361625e-10 -6.29361625e-10 -6.29361625e-10]
 [ 6.29361625e-10  6.29361625e-10 -6.29361625e-10]
 [ 6.29361625e-10 -6.29361625e-10  6.29361625e-10]
 [-6.29361625e-10  6.29361625e-10  6.29361625e-10]
 [-6.29361625e-10 -6.29361625e-10 -6.29361625e-10]
 [ 6.29361625e-10  6.29361625e-10 -6.29361625e-10]
 [ 6.29361625e-10 -6.29361625e-10  6.29361625e-10]
 [-6.29361625e-10  6.29361625e-10  6.29361625e-10]
 [ 6.29361625e-10  6.29361625e-10  6.29361625e-10]
 [-6.29361625e-10 -6.29361625e-10  6.29361625e-10]
 [-6.29361625e-10  6.29361625e-10 -6.29361625e-10]
 [ 6.29361625e-10 -6.29361625e-10 -6.29361625e-10]
 [ 6.29361625e-10  6.29361625e-10  6.29361625e-10]
 [-6.29361625e-10 -6.29361625e-10  6.29361625e-10]
 [-6.29361625e-10  6.29361625e-10 -6.29361625e-10]
 [ 6.29361625e-10 -6.29361625e-10 -6.29361625e-10]]
stress =  [-1.78964526e-10 -1.78964526e-10 -1.78964526e-10  0.00000000e+00
  0.00000000e+00 -2.59769832e-34]
energy per atom =  -4.172654608234732
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0